N-(3-methylphenyl)-2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]acetamide
N-(3-methylphenyl)-2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D058-0230 |
| Compound Name: | N-(3-methylphenyl)-2-[(9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 351.43 |
| Molecular Formula: | C18 H17 N5 O S |
| Smiles: | Cc1cccc(c1)NC(CSc1nnc2n(C)c3ccccc3n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.924 |
| logD: | 2.917 |
| logSw: | -3.2027 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.886 |
| InChI Key: | VXPWCCINIKSFQW-UHFFFAOYSA-N |